2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-chloranyl-6-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-chloranyl-6-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-chloro-6-methoxy-phenoxy]acetamide CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-chloro-6-methoxyphenoxy]acetamide IUPAC Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-chloro-6-methoxyphenoxy]acetamide Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-chloro-6-methoxy-phenoxy]acetamide Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Cl)OCC(=O)N)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Cl)OCC(=O)N)OC)C(=O)C1)C

InChI

InChI=1S/C21H22ClN3O5/c1-21(2)6-13(26)18-15(7-21)30-20(25)11(8-23)17(18)10-4-12(22)19(14(5-10)28-3)29-9-16(24)27/h4-5,17H,6-7,9,25H2,1-3H3,(H2,24,27)